CAS 100-82-3 3-Fluorobenzylamine (HCID 66853)

Names & identifiers

Preferred name: 3-Fluorobenzylamine
IUPAC: (3-fluorophenyl)methanamine
English name: 3-Fluorobenzylamine
Molecular formula: C7H8FN
Molecular weight: 125.14

Names & synonyms

3-FluorobenzylamineBenzenemethanamine, 3-fluoro-m-FluorobenzylamineBenzylamine, m-fluoro-meta-FluorobenzylamineEINECS 202-891-3DTXSID8059219RefChem:93954DTXCID3032460202-891-3QVSVMNXRLWSNGS-UHFFFAOYSA-N100-82-3

Show more names

3-FluorophenylmethylamineRARECHEM AL BW 01583-Fluorobenzylamine>3-Fluorobenzylamine 97%3-Fluorobenzylamine, 97+%

(3-Fluorophenyl)methanamine1-(3-fluorophenyl)methanamine3-fluorobenzyl amineMFCD000081133-Fluoro-benzylamine(3-fluorophenyl)methylamineCHEMBL12722m-fluorobenzyl amine

Database identifiers

CAS: 100-82-3
PubChem CID: 66853
DTXSID: DTXSID8059219
ChEMBL: CHEMBL12722
UNII: 6MGA6423TQ
EC Number: 202-891-3
Nikkaji: J182.138E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Physicochemical properties

Melting point: 247 · 247-248 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling point: 87 °C · 87 °C
Density: 1.097 g/mL · 1.097 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.514(lit.)
Flash point: 160 °F · 160 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 8.8 · 8.80±0.10(Predicted)
form: Liquid
Specific Gravity: 1.097 · 1.097
color: Clear colorless to yellow
Sensitive: Air Sensitive
BRN: 1446928 · 1446928
InChI: 1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey: QVSVMNXRLWSNGS-UHFFFAOYSA-N
SMILES: NCc1cccc(F)c1
CAS DataBase Reference: 100 · 100-82-3(CAS DataBase Reference)
FDA UNII: 6 MGA6423TQ · 6MGA6423TQ
NIST Chemistry Reference: M-fluorobenzylamine(100-82-3)
EPA Substance Registry System: 3 · Benzenemethanamine, 3-fluoro- (100-82-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-20/21/22-36/37/38
Safety Statements: 23 · 23-26-36/37/39-45-36
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214300 · 29214300
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29214300
risk_code: 34-20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 23-26-36/37/39-45-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 3-fluoro-: INACTIVE

Applications · 1 item

Uses3-Fluorobenzylamine has been used to study the rate of reaction of benzylamines with 1-Chloro-2,4-dinitrobenzene and toluene-p-sulphonyl chloride. It has also been used in the synthesis of substituted amino-sulfonamide protease inhibitors (PIs) DPC 681 and DPC 684.